4-azanyl-3-[[4-[4-[(1-azanyl-4,8-disulfo-naphthalen-2-yl)diazenyl]-3-methoxy-phenyl]-2-methoxy-phenyl]diazenyl]naphthalene-1,5-disulfonic acid

Systemtic Name: 4-azanyl-3-[[4-[4-[(1-azanyl-4,8-disulfo-naphthalen-2-yl)diazenyl]-3-methoxy-phenyl]-2-methoxy-phenyl]diazenyl]naphthalene-1,5-disulfonic acid Openeye Name: 4-amino-3-[4-[4-[(1-amino-4,8-disulfo-2-naphthyl)azo]-3-methoxy-phenyl]-2-methoxy-phenyl]azo-naphthalene-1,5-disulfonic acid CAS Name: 4-amino-3-[4-[4-[(1-amino-4,8-disulfo-2-naphthalenyl)azo]-3-methoxyphenyl]-2-methoxyphenyl]azonaphthalene-1,5-disulfonic acid IUPAC Name: 4-amino-3-[[4-[4-[(1-amino-4,8-disulfonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]naphthalene-1,5-disulfonic acid Traditional Name: 4-amino-3-[4-[4-[(1-amino-4,8-disulfo-2-naphthyl)azo]-3-methoxy-phenyl]-2-methoxy-phenyl]azo-naphthalene-1,5-disulfonic acid Formula: C34H28N6O14S4 MolecularWeight: 872.87792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=CC(=C4C=CC=C(C4=C3N)S(=O)(=O)O)S(=O)(=O)O)OC)N=NC5=CC(=C6C=CC=C(C6=C5N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=CC(=C4C=CC=C(C4=C3N)S(=O)(=O)O)S(=O)(=O)O)OC)N=NC5=CC(=C6C=CC=C(C6=C5N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C34H28N6O14S4/c1-53-25-13-17(9-11-21(25)37-39-23-15-29(57(47,48)49)19-5-3-7-27(55(41,42)43)31(19)33(23)35)18-10-12-22(26(14-18)54-2)38-40-24-16-30(58(50,51)52)20-6-4-8-28(56(44,45)46)32(20)34(24)36/h3-16H,35-36H2,1-2H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)